Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18920865 | 0.84 | CYP2D6 (0.31) | BAZ2ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18920481 | 0.84 | BPTF (0.32) | BAZ2ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18920860 | 0.84 | AKT1 (0.36) | BAZ2ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18920449 | 0.79 | P2RX7 (0.33) | BAZ2ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23121419 | 0.74 | MAPK1 (0.39) | CYP2D6SLC6A2OPRM1 | |
| SCHEMBL17188052 | 0.72 | HTR2A (0.50) | CYP2D6OPRM1ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL22981393 | 0.71 | FPR2 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22981246 | 0.69 | BRD4 (0.38) | — | |
| SCHEMBL6972395 | 0.67 | OPRM1 (0.50) | CYP2D6OPRM1 | |
| Hydrochloric Acid SCHEMBL7723494 | 0.66 | OPRM1 (0.48) | CYP2D6OPRM1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3383873-A1 | 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER | Astrazeneca AB (SE) | 2018-10-10 | — | — | EP | disclosed |
| WO-2017093299-A1 | 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2017-06-08 | — | — | WO | disclosed |